ISSN:
1432-2234
Keywords:
Keywords:β-Elicitin
;
pKa Calculations
;
Continuum electrostatics
;
boundary element method
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract. Elicitins are small proteins that are secreted by plant pathogenic fungi. In this work we have used a computer program that utilizes the boundary element method for heterogeneous dielectrics with ionic strength to calculate the pK a of all titrating groups in the 98-residue protein β-cryptogein. Our results are in reasonable agreement with the experimentally determined pK a values for the Tyr residues in the protein. We find that the functionally important Lys13 residue has a normal pK a of 10.3. Our work also shows that there is no direct correlation between the exposure of an amino acid sidechain and its pK a.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s002140050423
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